N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-1-sulfonamide

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-1-sulfonamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-1-sulfonamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumyl]methyl]-1-pyrrolidinesulfonamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-1-sulfonamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyrrolidine-1-sulfonamide Formula: C16H29N5O2S+2 MolecularWeight: 355.49876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)CNS(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)CNS(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H27N5O2S/c1-19-8-5-9-20(13-12-19)16-15(6-4-7-17-16)14-18-24(22,23)21-10-2-3-11-21/h4,6-7,18H,2-3,5,8-14H2,1H3/p+2